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	hartrees
Energy at 0K	-1457.467604
Energy at 298.15K	-1457.468733
Nuclear repulsion energy	318.012934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3124	14.52
2	A'	1675	1602	12.79
3	A'	1276	1221	10.42
4	A'	952	911	115.93
5	A'	867	829	122.30
6	A'	646	618	13.76
7	A'	395	378	0.12
8	A'	283	270	0.26
9	A'	179	172	0.91
10	A"	809	774	28.67
11	A"	479	459	4.95
12	A"	209	200	0.35

Atom	x (Å)	y (Å)
C1	-1.036	-0.399
C2	0.000	0.442
H3	-2.052	-0.028
Cl4	-0.881	-2.105
Cl5	-0.271	2.146
Cl6	1.639	-0.055

	C1	C2	H3	Cl4	Cl5	Cl6
C1		1.3350	1.0812	1.7126	2.6572	2.6971
C2	1.3350		2.1054	2.6950	1.7246	1.7123
H3	1.0812	2.1054		2.3838	2.8101	3.6908
Cl4	1.7126	2.6950	2.3838		4.2936	3.2482
Cl5	2.6572	1.7246	2.8101	4.2936		2.9134
Cl6	2.6971	1.7123	3.6908	3.2482	2.9134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.027	C1	C2	Cl6	124.053
C2	C1	H3	120.868	C2	C1	Cl4	123.867
H3	C1	Cl4	115.265	Cl5	C2	Cl6	115.919

All results from a given calculation for CHClCCl₂ (Trichloroethylene)

using model chemistry: B1B95/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.579
2	C	-0.014
3	H	0.219
4	Cl	0.087
5	Cl	0.120
6	Cl	0.168

	x	y	z	Total
	-0.896	0.258	0.000	0.932
CHELPG
AIM
ESP

	x	y	z
x	9.189	0.873	0.000
y	0.873	11.746	0.000
z	0.000	0.000	5.038

<r²>	256.852
(<r²>)^1/2	16.027

All results from a given calculation for CHClCCl2 (Trichloroethylene)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CHClCCl₂ (Trichloroethylene)